UCSF

ZINC70514616

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.18 4.26 -38.08 3 4 1 49 293.431 6
Hi High (pH 8-9.5) 2.18 2.52 -3.79 2 4 0 45 292.423 6
Lo Low (pH 4.5-6) 2.18 4.61 -119.27 4 4 0 51 294.439 6
Lo Low (pH 4.5-6) 2.18 4.34 -48.9 3 4 0 46 293.431 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )